6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine

C18H13ClN4S2 — CID 10178109

IUPAC6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(-c2ccccc2Cl)sc2c(N/N=C/c3cccs3)ncnc12
InChIInChI=1S/C18H13ClN4S2/c1-11-15-17(25-16(11)13-6-2-3-7-14(13)19)18(21-10-20-15)23-22-9-12-5-4-8-24-12/h2-10H,1H3,(H,20,21,23)/b22-9+
InChIKeyKPCRMGYQUWUUHI-LSFURLLWSA-N
MW384.92 g/mol
LogP5.83
Rot. Bonds4

About 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine

6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 10178109) has the molecular formula C18H13ClN4S2 and a molecular weight of 384.92 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine
PubChem CID10178109
Molecular FormulaC18H13ClN4S2
Molecular Weight384.92 g/mol
Exact Mass384.03
IUPAC Name6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(-c2ccccc2Cl)sc2c(N/N=C/c3cccs3)ncnc12
InChIInChI=1S/C18H13ClN4S2/c1-11-15-17(25-16(11)13-6-2-3-7-14(13)19)18(21-10-20-15)23-22-9-12-5-4-8-24-12/h2-10H,1H3,(H,20,21,23)/b22-9+
InChIKeyKPCRMGYQUWUUHI-LSFURLLWSA-N
XLogP5.83
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.92
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-methyl-N-(pyridin-2-ylmethylideneamino)-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 90734863
[6-(2-ethoxy-4-fluorophenyl)-4-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]thieno[3,2-d]pyrimidin-7-yl]methanol
CID 11532024
5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 44591421
9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine
CID 4889823
N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9299932
7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine
CID 152768332
6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 5332196
6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methylthiophen-2-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
CID 11567741
N-(thiophen-2-ylmethylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 2815110
4-[(2E)-2-[(3-chloro-4-fluorophenyl)methylidene]hydrazinyl]-6-(2-ethoxyphenyl)thieno[3,2-d]pyrimidine-7-carbonitrile
CID 11712112
4-[(E)-[[6-[4-(hydroxymethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzoic acid
CID 10180290
6-(2-ethoxyphenyl)-4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
CID 11711188

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine (CID 10178109) is 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine is Cc1c(-c2ccccc2Cl)sc2c(N/N=C/c3cccs3)ncnc12.
What is the InChIKey of 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is KPCRMGYQUWUUHI-LSFURLLWSA-N. The full InChI is InChI=1S/C18H13ClN4S2/c1-11-15-17(25-16(11)13-6-2-3-7-14(13)19)18(21-10-20-15)23-22-9-12-5-4-8-24-12/h2-10H,1H3,(H,20,21,23)/b22-9+.
What are the key properties of 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine?
6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 384.92 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10178109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).